ChemSpider 2D Image | 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C29H34O16

5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID84487453

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 5-hydroxy-7-méthoxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-8-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 8-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)- [ACD/Index Name]
5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 964.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.1±3.0 kJ/mol
Flash Point: 314.1±27.8 °C
Index of Refraction: 1.698
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.20
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 98.2±5.0 dyne/cm
Molar Volume: 383.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement